SCHEMBL3063104

SCHEMBL3063104

CC(C)c1nc2ccccc2c(=O)n1NC(=O)Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
GPR139 Q6DWJ6 2/20 0.46
P2RY14 Q15391 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CSNK1D P48730 1/20 0.44
ABCB1 P08183 1/20 0.43
MMP13 P45452 1/20 0.43
CXCR3 P49682 1/20 0.43
RAB9A P51151 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13101963 0.90 ALDH1A1 (0.58) ALDH1A1HTTLMNASMN1; SMN2GPR139
SCHEMBL13101690 0.88 ALDH1A1 (0.49) ALDH1A1HTTLMNASMN1; SMN2GPR139
SCHEMBL13283006 0.88 RAB9A (0.53) ALDH1A1HTTLMNASMN1; SMN2GPR139
SCHEMBL13102046 0.87 ALDH1A1 (0.51) ALDH1A1HTTLMNASMN1; SMN2P2RY14
SCHEMBL13282920 0.86 NPSR1 (0.53) ALDH1A1HTTLMNASMN1; SMN2P2RY14
SCHEMBL13101962 0.86 KDM4E (0.53) ALDH1A1HTTLMNASMN1; SMN2GPR139
SCHEMBL13282989 0.85 NPSR1 (0.56) ALDH1A1HTTLMNASMN1; SMN2P2RY14
SCHEMBL13101952 0.84 ALDH1A1 (0.53) ALDH1A1HTTLMNASMN1; SMN2GPR139
SCHEMBL13102204 0.84 ALDH1A1 (0.61) ALDH1A1HTTLMNASMN1; SMN2NPSR1
SCHEMBL13102210 0.81 ALDH1A1 (0.52) ALDH1A1HTTLMNASMN1; SMN2P2RY14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663237-B1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2013-06-19 EP disclosed
US-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 US disclosed
US-7741332-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2010-06-22 US disclosed
EP-1663237-A4 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2009-04-29 EP disclosed
US-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7223768-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1663237-A2 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2006-06-07 EP disclosed
WO-2005025293-A2 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2005-03-24 WO disclosed
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2005-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885LMNA 1121/4885
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885LMNA 1121/4885
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885LMNA 1121/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.